General Information of the Compound
| Compound ID |
CP0076474
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| Compound Name |
4-[benzyl-(4-phenoxyphenyl)sulfamoyl]benzoic acid
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| Structure |
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| Formula |
C26H21NO5S
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| Molecular Weight |
459.523
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H21NO5S/c28-26(29)21-11-17-25(18-12-21)33(30,31)27(19-20-7-3-1-4-8-20)22-13-15-24(16-14-22)32-23-9-5-2-6-10-23/h1-18H,19H2,(H,28,29)
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| InChIKey |
RBXZDUYZCZMSQY-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound